ArticleJACS Au2021
Kinetics and Mechanism of Fentanyl Dissociation from the μ-Opioid Receptor.
Article in JACS Au, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 28 papers.
What it found
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The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
28 citing papers in PubMed.
- Hold on tight: the kinetic profiling of opioid receptor ligands using the CORAL-MD.Journal of cheminformatics · 2026Article
- Slow Dissociation of Nitazenes from thebioRxiv : the preprint server for biology · 2026Article
- Resonant terahertz-induced stark field disruption of fentanyl's μ-opioid receptor binding for precision overdose reversal.Journal of molecular modeling · 2026Article
- Quantum-topological simulation of Berry phase-induced fentanyl-μ-opioid receptor dissociation via terahertz vortex fields.Journal of molecular modeling · 2025Article
- In vitro and in vivo pharmacological characterization of fentanyl analogs.Neuropharmacology · 2025Article
- Article
- A putative binding model of nitazene derivatives at the μ-opioid receptor.Neuropharmacology · 2025Article
- Ultrafast terahertz-induced torque disruption of fentanyl's μ-opioid receptor binding for precision overdose reversal.Journal of molecular modeling · 2025Article
- Artificial intelligence approaches for anti-addiction drug discovery.Digital discovery · 2025Review
- Integrated pharmacovigilance of fentanyl: multinational analysis reveals novel safety signals and demographic-specific risk profiles.Frontiers in pharmacology · 2025Article
- Effects of pH on opioid receptor activation and implications for drug design.Biophysical journal · 2024Review
- Understanding the impact of binding free energy and kinetics calculations in modern drug discovery.Expert opinion on drug discovery · 2024Review
- Review
- Goldilocks Energy Minimum: Peptide-Based Reversible Aggregation and Biosensing.ACS applied materials & interfaces · 2023Article
- Carfentanil is a β-arrestin-biased agonist at the μ opioid receptor.British journal of pharmacology · 2023Article
- The PIWI-specific insertion module helps load longer piRNAs for translational activation essential for male fertility.Science China. Life sciences · 2023Article
- Structure-Kinetics Relationships of Opioids from Metadynamics and Machine Learning Analysis.Journal of chemical information and modeling · 2023Article
- Binding preference at the μ-opioid receptor underlies distinct pharmacology of cyclopropyl versus valeryl analogs of fentanyl.Neuropharmacology · 2023Article
- Insights into distinct signaling profiles of the µOR activated by diverse agonists.Nature chemical biology · 2023Article
- Structure-Kinetics Relationships of Opioids from Metadynamics and Machine Learning.bioRxiv : the preprint server for biology · 2023Article
Corrections and comments
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Authors and funding
4 authors.
Funding
Abstract
Driven by illicit fentanyl, opioid related deaths have reached the highest level in 2020. Currently, an opioid overdose is resuscitated by the use of naloxone, which competitively binds and antagonizes the μ-opioid receptor (mOR). Thus, knowledge of the residence times of opioids at mOR and the unbinding mechanisms is valuable for assessing the effectiveness of naloxone. In the present study, we calculate the fentanyl-mOR dissociation time and elucidate the mechanism by applying an enhanced sampling molecular dynamics (MD) technique. Two sets of metadynamics simulations with different initial structures were performed while accounting for the protonation state of the conserved H297
Identifiers
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.